SCHEMBL793522

SCHEMBL793522

CCCCCN1CCN(CCOC)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.53
GNAO1 P09471 6/20 0.53
GNAI1 P63096 6/20 0.53
HTR1A P08908 1/20 0.46
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 2/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ABCB1 P08183 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19634480 0.98 GNAI3 (0.57) GNAI3GNAO1GNAI1HTR1ALTA4H
SCHEMBL23471206 0.98 GNAI3 (0.57) GNAI3GNAO1GNAI1HTR1ALTA4H
SCHEMBL793883 0.93 GNAI3 (0.45) GNAI3GNAO1GNAI1HTR1ALTA4H
SCHEMBL25135123 0.93 GNAI3 (0.45) GNAI3GNAO1GNAI1HTR1ALTA4H
SCHEMBL19634476 0.90 GNAI3 (0.44) GNAI3GNAO1GNAI1HTR1ALTA4H
SCHEMBL19865645 0.89 GNAI3 (0.57) GNAI3GNAO1GNAI1HTR1ALTA4H
SCHEMBL23471324 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1HTR1ALTA4H
SCHEMBL21016223 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1HTR1ALTA4H
SCHEMBL19634651 0.88 GNAI3 (0.41) GNAI3GNAO1GNAI1HTR1ALTA4H
SCHEMBL20231217 0.86 HSD11B1 (0.41) GNAI3GNAO1GNAI1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20130210704-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2013-08-15 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
EP-0154669-A1 Catalyst for urethane foam blown with carboxylic acids ABBOTT LABORATORIES (US) 1985-09-18 EP disclosed
EP-0144573-A2 Catalyst system for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-06-19 EP disclosed
US-4500654-A N-SUBSTITUTED ALKOXYALKYL PIPERAZINE ABBOTT LABORATORIES (US) 1985-02-19 US disclosed
US-4473666-A A DIALKYLCYCLOHEXYLAMINE AND AN N-SUBSTITUTED ALKOXYALKYL PIPERAZINE ABBOTT LABORATORIES (US) 1984-09-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP GNAI3 1569/4885GNAO1 2200/4885GNAI1 1027/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP GNAI3 1569/4885GNAO1 2200/4885GNAI1 1027/4885
US-20130210704-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 GNAI3 2852/4885GNAO1 4461/4885GNAI1 2584/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP GNAI3 1569/4885GNAO1 2200/4885GNAI1 1027/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 GNAI3 849/4885GNAO1 1337/4885GNAI1 704/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 GNAI3 849/4885GNAO1 1337/4885GNAI1 704/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.